4545-1201 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

4545-1201 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
4545-1201 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-1201
(5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4545-1201

Molecular Formula

C17H13BrN2O3 (C17 H13 BrN2 O3)

Compound Name

(5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

IUPAC name

(5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]imidazolidine-24-dione

SMILES

Oc1ccc(/C=C(\C(N2Cc(cc3)ccc3Br)=O)/NC2=O)cc1

InChI

InChI=1S/C17H13BrN2O3/c18-13-5-1-12(2-6-13)10-20-16(22)15(19-17(20)23)9-11-3-7-14(21)8-4-11/h1-9,21H,10H2,(H,19,23)

InChI Key

UJLUWRRUVVDJJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.513

Water Solubility, LogSw

-3.42

Polar Surface Area

58.287

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4545-1201 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4545-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-1201?
Check Price and Availability of 4545-1201, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4545-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-1201
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4545-1201 available by request